General Information of the Compound
| Compound ID |
CP0850257
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| Compound Name |
2,2'-[4,5-Acridindiylbis(methyleneimino)]bis[N-methyl-N-(2-oxoethyl)piperidinium]diiodide
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| Structure |
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| Formula |
C31H43I2N5O2
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| Molecular Weight |
771.526
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| Canonical SMILES |
C[N+]1(CC(=O)NCc2cccc3cc4cccc(CNC(=O)C[N+]5(C)CCCCC5)c4nc23)CCCCC1.[I-].[I-]
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| InChI |
InChI=1S/C31H41N5O2.2HI/c1-35(15-5-3-6-16-35)22-28(37)32-20-26-13-9-11-24-19-25-12-10-14-27(31(25)34-30(24)26)21-33-29(38)23-36(2)17-7-4-8-18-36;;/h9-14,19H,3-8,15-18,20-23H2,1-2H3;2*1H
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| InChIKey |
XSGILKJJJCEEGJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound